SCHEMBL8560143

SCHEMBL8560143

O=C(O)CCc1ccc(-c2c[nH]c(=O)n2-c2ccc3c(c2)CCNCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
HTR6 P50406 2/20 0.36
FFAR4 Q5NUL3 4/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
MLNR O43193 3/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.34
ACHE P22303 1/20 0.34
ESR1 P03372 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8564229 0.82 MAPK9 (0.38) RXRARXRBRXRGFFAR1PPARD
SCHEMBL8562408 0.78 S1PR1 (0.44) RXRARXRBRXRGFFAR1PPARD
SCHEMBL8563938 0.78 RXRA (0.43) RXRARXRBRXRGFFAR1PPARD
SCHEMBL8558675 0.76 CCNC (0.41) FFAR1PPARDPPARAFFAR4
SCHEMBL9056558 0.76 RXRA (0.42) RXRARXRBRXRGFFAR1FFAR4
SCHEMBL8559911 0.75 HTR6 (0.43) RXRARXRBRXRGFFAR1PPARD
Hydrochloric Acid SCHEMBL8566413 0.75 RXRA (0.43) RXRARXRBRXRGPPARDPPARA
Hydrochloric Acid SCHEMBL20509927 0.75 RXRA (0.50) RXRARXRBRXRGFFAR1ITGB3
Hydrochloric Acid SCHEMBL8567619 0.74 FFAR4 (0.36) RXRARXRBRXRGFFAR1PPARD
Hydrochloric Acid SCHEMBL8560774 0.73 FFAR1 (0.38) RXRARXRBRXRGFFAR1PPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed